4-[[[(E)-2-methylpent-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(E)-2-methylpent-2-enoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-2-methylpent-2-enoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-2-methyl-1-oxopent-2-enyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-2-methylpent-2-enoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-2-methylpent-2-enoyl]amino]methyl]benzoic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC/C=C(\C)/C(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H17NO3/c1-3-4-10(2)13(16)15-9-11-5-7-12(8-6-11)14(17)18/h4-8H,3,9H2,1-2H3,(H,15,16)(H,17,18)/b10-4+